SCHEMBL265785

SCHEMBL265785

CCOC(=O)CCC1CCC(=O)N1CC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGER4 P35408 3/20 0.39
PTGER3 P43115 3/20 0.39
PTGER2 P43116 3/20 0.39
KMT2A Q03164 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
P2RX7 Q99572 7/20 0.37
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10474630 0.82 MTNR1A (0.45) ALDH1A1KMT2AP2RX7
SCHEMBL265281 0.81 PTGER3 (0.50) PTGER4PTGER3PTGER2KMT2AP2RX7
SCHEMBL11023184 0.76 PTGER2 (0.48) ALDH1A1PTGER4PTGER3PTGER2KMT2A
SCHEMBL635958 0.76 PTGER4 (0.40) PTGER4PTGER3PTGER2KMT2AP2RX7
SCHEMBL2575919 0.75 P2RX7 (0.49) KMT2AP2RX7
SCHEMBL11949260 0.75 P2RX7 (0.49) KMT2AP2RX7
SCHEMBL2575921 0.75 P2RX7 (0.49) KMT2AP2RX7
SCHEMBL4994022 0.74 PTGER4 (0.47) TDP1ALDH1A1USP2ALOX15PTGER4
SCHEMBL4994025 0.74 PTGER4 (0.47) TDP1ALDH1A1USP2ALOX15PTGER4
SCHEMBL2034493 0.74 PTGER4 (0.36) PTGER4PTGER3PTGER2KMT2AP2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 TDP1 3740/4885ALDH1A1 1934/4885USP2 4065/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 TDP1 3966/4885ALDH1A1 2376/4885USP2 4031/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.